N'-[(E)-2-(trifluoromethyl)but-1-enyl]methanimidamide

C6H9F3N2 — CID 142488378

IUPACN'-[(E)-2-(trifluoromethyl)but-1-enyl]methanimidamide
SMILESCC/C(=C\N=C\N)C(F)(F)F
InChIInChI=1S/C6H9F3N2/c1-2-5(3-11-4-10)6(7,8)9/h3-4H,2H2,1H3,(H2,10,11)/b5-3+
InChIKeyLWFOJXUXPFWNQH-HWKANZROSA-N
MW166.15 g/mol
LogP1.83
Rot. Bonds2

About N'-[(E)-2-(trifluoromethyl)but-1-enyl]methanimidamide

N'-[(E)-2-(trifluoromethyl)but-1-enyl]methanimidamide (PubChem CID 142488378) has the molecular formula C6H9F3N2 and a molecular weight of 166.15 g/mol. Its IUPAC name is N'-[(E)-2-(trifluoromethyl)but-1-enyl]methanimidamide.

Molecular Properties

Compound NameN'-[(E)-2-(trifluoromethyl)but-1-enyl]methanimidamide
PubChem CID142488378
Molecular FormulaC6H9F3N2
Molecular Weight166.15 g/mol
Exact Mass166.07
IUPAC NameN'-[(E)-2-(trifluoromethyl)but-1-enyl]methanimidamide
SMILESCC/C(=C\N=C\N)C(F)(F)F
InChIInChI=1S/C6H9F3N2/c1-2-5(3-11-4-10)6(7,8)9/h3-4H,2H2,1H3,(H2,10,11)/b5-3+
InChIKeyLWFOJXUXPFWNQH-HWKANZROSA-N
XLogP1.83
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.15
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(E)-2-(trifluoromethyl)but-1-enyl]methanimidamide?
The IUPAC name of N'-[(E)-2-(trifluoromethyl)but-1-enyl]methanimidamide (CID 142488378) is N'-[(E)-2-(trifluoromethyl)but-1-enyl]methanimidamide.
What is the SMILES notation for N'-[(E)-2-(trifluoromethyl)but-1-enyl]methanimidamide?
The canonical SMILES for N'-[(E)-2-(trifluoromethyl)but-1-enyl]methanimidamide is CC/C(=C\N=C\N)C(F)(F)F.
What is the InChIKey of N'-[(E)-2-(trifluoromethyl)but-1-enyl]methanimidamide?
The InChIKey is LWFOJXUXPFWNQH-HWKANZROSA-N. The full InChI is InChI=1S/C6H9F3N2/c1-2-5(3-11-4-10)6(7,8)9/h3-4H,2H2,1H3,(H2,10,11)/b5-3+.
What are the key properties of N'-[(E)-2-(trifluoromethyl)but-1-enyl]methanimidamide?
N'-[(E)-2-(trifluoromethyl)but-1-enyl]methanimidamide has a molecular weight of 166.15 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-2-(trifluoromethyl)but-1-enyl]methanimidamide is sourced from PubChem (CID 142488378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).